[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=CC=CS2)Br

InChI

InChI=1S/C17H18BrNO3S/c1-12-7-8-13(10-15(12)18)19-16(20)11-22-17(21)6-2-4-14-5-3-9-23-14/h3,5,7-10H,2,4,6,11H2,1H3,(H,19,20)